EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175361 - Citreoviridinol A1

ChEBI IDCHEBI:175361
ChEBI NameCitreoviridinol A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCOc1cc(=O)oc(/C=C\C=C\C=C/C2(C)OC3(C)C(O)OC(C)(C2O)C3O)c1C
InChIInChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8-,11-9-
InChIKeyIQOXOOYMXWDCEG-LXKJUNEMSA-N
ChEBI Ontology
Outgoing Relation(s)
Citreoviridinol A1 (CHEBI:175361) is a oxacycle (CHEBI:38104)
IUPAC Name 
4-methoxy-5-methyl-6-[(1Z,3E,5Z)-6-(4,7,8-trihydroxy-1,3,5-trimethyl-2,6-dioxabicyclo[3.2.1]octan-3-yl)hexa-1,3,5-trienyl]pyran-2-one
Manual XrefsDatabases
HMDB0035369HMDB
35013913ChemSpider